2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,3-dimethylcyclohexyl)acetamide

C13H22N2OS2 — CID 3642937

IUPAC2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,3-dimethylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)CSC2=NCCS2)C1C
InChIInChI=1S/C13H22N2OS2/c1-9-4-3-5-11(10(9)2)15-12(16)8-18-13-14-6-7-17-13/h9-11H,3-8H2,1-2H3,(H,15,16)
InChIKeyIITHXNAKYCELDI-UHFFFAOYSA-N
MW286.47 g/mol
LogP2.76
Rot. Bonds3

About 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,3-dimethylcyclohexyl)acetamide

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,3-dimethylcyclohexyl)acetamide (PubChem CID 3642937) has the molecular formula C13H22N2OS2 and a molecular weight of 286.47 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,3-dimethylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,3-dimethylcyclohexyl)acetamide
PubChem CID3642937
Molecular FormulaC13H22N2OS2
Molecular Weight286.47 g/mol
Exact Mass286.12
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,3-dimethylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)CSC2=NCCS2)C1C
InChIInChI=1S/C13H22N2OS2/c1-9-4-3-5-11(10(9)2)15-12(16)8-18-13-14-6-7-17-13/h9-11H,3-8H2,1-2H3,(H,15,16)
InChIKeyIITHXNAKYCELDI-UHFFFAOYSA-N
XLogP2.76
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate
CID 11916478
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 7474484
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 11906405
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11916666
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 73140562
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 7499903
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 11906066
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 4832445
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 11917860
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 7284425
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide
CID 17454224
2-[[5-[2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 11926389

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,3-dimethylcyclohexyl)acetamide?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,3-dimethylcyclohexyl)acetamide (CID 3642937) is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,3-dimethylcyclohexyl)acetamide.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,3-dimethylcyclohexyl)acetamide?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,3-dimethylcyclohexyl)acetamide is CC1CCCC(NC(=O)CSC2=NCCS2)C1C.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,3-dimethylcyclohexyl)acetamide?
The InChIKey is IITHXNAKYCELDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS2/c1-9-4-3-5-11(10(9)2)15-12(16)8-18-13-14-6-7-17-13/h9-11H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,3-dimethylcyclohexyl)acetamide?
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,3-dimethylcyclohexyl)acetamide has a molecular weight of 286.47 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,3-dimethylcyclohexyl)acetamide is sourced from PubChem (CID 3642937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).